SCHEMBL29976583

SCHEMBL29976583

COc1cccc(C[S+]([O-])c2nc(-c3cccs3)cc(C(F)(F)F)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.45
▸ SDHB P21912 5/20 0.45
▸ THRB P10828 1/20 0.45
▸ KDM4E B2RXH2 6/20 0.44
▸ TP53 P04637 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ S1PR4 O95977 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ ADORA2A P29274 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19805654 1.00 TLR8 (0.45) TLR8SDHBTHRBKDM4ETP53
SCHEMBL19805732 0.90 TP53 (0.49) TLR8SDHBTHRBKDM4ETP53
SCHEMBL29976339 0.90 TP53 (0.49) TLR8SDHBTHRBKDM4ETP53
SCHEMBL29976249 0.85 SDHB (0.54) TLR8SDHBKDM4ETP53ALDH1A1
SCHEMBL19805905 0.85 SDHB (0.54) TLR8SDHBKDM4ETP53ALDH1A1
SCHEMBL19805853 0.82 SDHB (0.43) TLR8SDHBKDM4ETP53ALDH1A1
SCHEMBL29976570 0.82 SDHB (0.43) TLR8SDHBKDM4ETP53ALDH1A1
SCHEMBL19805742 0.81 ADORA2A (0.53) TLR8SDHBKDM4ETP53ALDH1A1
SCHEMBL29977092 0.81 ADORA2A (0.53) TLR8SDHBKDM4ETP53ALDH1A1
SCHEMBL19805658 0.80 THRB (0.59) THRBKDM4EALDH1A1HSD17B10LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — CN disclosed
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